6-Amino-2-isopropylbenzothiazole - CAS 42517-23-7
Catalog: |
BB025147 |
Product Name: |
6-Amino-2-isopropylbenzothiazole |
CAS: |
42517-23-7 |
Synonyms: |
2-propan-2-yl-1,3-benzothiazol-6-amine; 2-propan-2-yl-1,3-benzothiazol-6-amine |
IUPAC Name: | 2-propan-2-yl-1,3-benzothiazol-6-amine |
Description: | 6-Amino-2-isopropylbenzothiazole (CAS# 42517-23-7) is a useful research chemical. |
Molecular Weight: | 192.28 |
Molecular Formula: | C10H12N2S |
Canonical SMILES: | CC(C)C1=NC2=C(S1)C=C(C=C2)N |
InChI: | InChI=1S/C10H12N2S/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3 |
InChI Key: | HWXYBXYFYWOVAS-UHFFFAOYSA-N |
Boiling Point: | 329.4 °C at 760 mmHg |
Density: | 1.212 g/cm3 |
MDL: | MFCD03486863 |
LogP: | 3.58310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020142748-A1 | Methods and materials for increasing transcription factor eb polypeptide levels | 20190103 |
US-2021040118-A1 | Immunomodulators, compositions and methods thereof | 20180403 |
AU-2016303891-A1 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150804 |
AU-2016303891-B2 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150804 |
EP-3331864-A2 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150804 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.07211956 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.07211956 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Related Functional Groups
Amines and Anilines
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